(2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-heptan-2-yl-3-methyl-butanamide

Systemtic Name: (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-heptan-2-yl-3-methyl-butanamide Openeye Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(1-methylhexyl)butanamide CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-heptan-2-yl-3-methylbutanamide IUPAC Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-heptan-2-yl-3-methylbutanamide Traditional Name: (2S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(1-methylhexyl)butyramide Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C(C(C)C)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CCCCCC(C)NC(=O)[C@H](C(C)C)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C19H29N3O3S/c1-5-6-7-10-14(4)20-19(23)17(13(2)3)21-18-15-11-8-9-12-16(15)26(24,25)22-18/h8-9,11-14,17H,5-7,10H2,1-4H3,(H,20,23)(H,21,22)/t14?,17-/m0/s1